SCHEMBL2418806

SCHEMBL2418806

COc1ccc(Cl)c(-c2ncc(NC(=O)c3c(C)noc3C)nc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.53
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ LMNA P02545 4/20 0.48
▸ TSHR P16473 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SCN1A P35498 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ PTGS2 P35354 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ EPAS1 Q99814 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2414736 0.90 SCN10A (0.48) SCN10ALMNATSHRNPSR1SCN1A
SCHEMBL2415948 0.84 SCN10A (0.54) SCN10ANPC1RAB9ALMNATSHR
SCHEMBL2420059 0.84 SCN10A (0.54) SCN10ANPC1RAB9ALMNATSHR
SCHEMBL2418091 0.84 SCN10A (0.53) SCN10ANPC1RAB9ALMNATSHR
SCHEMBL2416261 0.84 SCN10A (0.75) SCN10ANPC1RAB9ALMNATSHR
SCHEMBL2419090 0.81 SCN10A (0.51) SCN10ANPC1RAB9ALMNATSHR
SCHEMBL2410050 0.80 SCN10A (0.52) SCN10ANPC1RAB9ASCN1ASCN5A
SCHEMBL2415208 0.79 SCN10A (0.50) SCN10ANPC1RAB9ALMNASCN1A
SCHEMBL2410516 0.79 SCN10A (0.75) SCN10ANPC1RAB9ALMNASCN1A
SCHEMBL2416063 0.77 SCN10A (0.48) SCN10ANPC1RAB9ALMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945630-B1 PYRAZINE DERIVATIVES AS SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2011-09-21 — — EP disclosed
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